USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 528 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 CYS SG : rot -42:sc= -0.486 USER MOD Set 1.2: A 38 CYS SG : rot 111:sc= 0.171 USER MOD Set 1.3: A 58 CYS SG : rot 55:sc= -6.83! USER MOD Set 2.1: A 8 CYS SG : rot 158:sc= 1.76 USER MOD Set 2.2: A 11 CYS SG : rot -43:sc= 0.684! USER MOD Set 2.3: A 29 HIS : no HD1:sc= 0.583 K(o=-0.17,f=-2.9) USER MOD Set 2.4: A 32 CYS SG : rot 143:sc= -3.2! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -174:sc= 0 (180deg=-0.0688) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot -53:sc= 0.00508 USER MOD Single : A 30 SER OG : rot 180:sc= 0.137 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -125:sc= -0.661 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.106 K(o=-0.11,f=-2.9!) USER MOD Single : A 41 GLN : amide:sc= 0.609! C(o=0.61!,f=-6.1!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 48 SER OG : rot -162:sc= 1.26 USER MOD Single : A 49 SER OG : rot 180:sc= -1.04 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 120:sc= -0.0931 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 131:sc= 0.102 USER MOD Single : A 55 MET CE :methyl 166:sc= -0.0106 (180deg=-0.489) USER MOD Single : A 60 ASN : amide:sc= -0.0668 X(o=-0.067,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 97 N ARG A 7 -9.769 -3.482 -0.441 1.00 0.00 N ATOM 98 CA ARG A 7 -9.385 -3.818 0.931 1.00 0.00 C ATOM 99 C ARG A 7 -8.007 -3.257 1.286 1.00 0.00 C ATOM 100 O ARG A 7 -7.252 -2.823 0.413 1.00 0.00 O ATOM 101 CB ARG A 7 -9.404 -5.335 1.140 1.00 0.00 C ATOM 102 CG ARG A 7 -9.627 -5.751 2.584 1.00 0.00 C ATOM 103 CD ARG A 7 -8.857 -7.011 2.934 1.00 0.00 C ATOM 104 NE ARG A 7 -7.438 -6.906 2.600 1.00 0.00 N ATOM 105 CZ ARG A 7 -6.794 -7.783 1.831 1.00 0.00 C ATOM 106 NH1 ARG A 7 -7.458 -8.779 1.255 1.00 0.00 N ATOM 107 NH2 ARG A 7 -5.491 -7.651 1.622 1.00 0.00 N ATOM 0 HA ARG A 7 -10.116 -3.358 1.595 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -10.190 -5.768 0.521 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -8.459 -5.752 0.793 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.320 -4.942 3.247 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -10.691 -5.916 2.754 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -8.963 -7.214 4.000 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.291 -7.858 2.403 1.00 0.00 H new ATOM 0 HE ARG A 7 -6.912 -6.118 2.976 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -8.463 -8.874 1.401 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.963 -9.449 0.667 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.982 -6.878 2.050 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.998 -8.323 1.033 1.00 0.00 H new ATOM 121 N CYS A 8 -7.688 -3.266 2.573 1.00 0.00 N ATOM 122 CA CYS A 8 -6.392 -2.813 3.033 1.00 0.00 C ATOM 123 C CYS A 8 -5.353 -3.900 2.822 1.00 0.00 C ATOM 124 O CYS A 8 -5.550 -5.049 3.225 1.00 0.00 O ATOM 125 CB CYS A 8 -6.439 -2.439 4.512 1.00 0.00 C ATOM 126 SG CYS A 8 -4.830 -1.920 5.192 1.00 0.00 S ATOM 0 H CYS A 8 -8.313 -3.583 3.314 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.120 -1.930 2.455 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.158 -1.632 4.650 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.805 -3.293 5.082 1.00 0.00 H new ATOM 0 HG CYS A 8 -5.021 -1.204 6.260 1.00 0.00 H new ATOM 131 N ALA A 9 -4.229 -3.515 2.252 1.00 0.00 N ATOM 132 CA ALA A 9 -3.125 -4.432 2.054 1.00 0.00 C ATOM 133 C ALA A 9 -2.122 -4.299 3.197 1.00 0.00 C ATOM 134 O ALA A 9 -1.041 -4.892 3.170 1.00 0.00 O ATOM 135 CB ALA A 9 -2.459 -4.175 0.710 1.00 0.00 C ATOM 0 H ALA A 9 -4.056 -2.568 1.916 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.507 -5.453 2.051 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.631 -4.871 0.575 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.186 -4.316 -0.089 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.082 -3.153 0.680 1.00 0.00 H new ATOM 141 N GLY A 10 -2.498 -3.525 4.209 1.00 0.00 N ATOM 142 CA GLY A 10 -1.639 -3.323 5.355 1.00 0.00 C ATOM 143 C GLY A 10 -1.998 -4.229 6.514 1.00 0.00 C ATOM 144 O GLY A 10 -1.114 -4.763 7.184 1.00 0.00 O ATOM 0 H GLY A 10 -3.390 -3.032 4.253 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.604 -3.502 5.065 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.705 -2.284 5.676 1.00 0.00 H new ATOM 148 N CYS A 11 -3.289 -4.446 6.726 1.00 0.00 N ATOM 149 CA CYS A 11 -3.731 -5.345 7.780 1.00 0.00 C ATOM 150 C CYS A 11 -4.589 -6.467 7.206 1.00 0.00 C ATOM 151 O CYS A 11 -4.080 -7.494 6.753 1.00 0.00 O ATOM 152 CB CYS A 11 -4.501 -4.579 8.873 1.00 0.00 C ATOM 153 SG CYS A 11 -5.939 -3.608 8.289 1.00 0.00 S ATOM 0 H CYS A 11 -4.041 -4.016 6.187 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.846 -5.788 8.237 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.847 -5.295 9.619 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.809 -3.904 9.376 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.623 -2.980 7.195 1.00 0.00 H new ATOM 158 N GLY A 12 -5.886 -6.253 7.232 1.00 0.00 N ATOM 159 CA GLY A 12 -6.831 -7.225 6.741 1.00 0.00 C ATOM 160 C GLY A 12 -8.242 -6.801 7.068 1.00 0.00 C ATOM 161 O GLY A 12 -8.903 -7.400 7.917 1.00 0.00 O ATOM 0 H GLY A 12 -6.313 -5.400 7.594 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.719 -7.337 5.663 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.625 -8.199 7.186 1.00 0.00 H new ATOM 165 N GLY A 13 -8.661 -5.692 6.481 1.00 0.00 N ATOM 166 CA GLY A 13 -9.952 -5.137 6.782 1.00 0.00 C ATOM 167 C GLY A 13 -10.456 -4.277 5.653 1.00 0.00 C ATOM 168 O GLY A 13 -9.769 -3.356 5.210 1.00 0.00 O ATOM 0 H GLY A 13 -8.120 -5.165 5.795 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.661 -5.943 6.972 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.891 -4.544 7.694 1.00 0.00 H new ATOM 172 N LYS A 14 -11.595 -4.659 5.113 1.00 0.00 N ATOM 173 CA LYS A 14 -12.202 -3.949 3.995 1.00 0.00 C ATOM 174 C LYS A 14 -12.582 -2.537 4.414 1.00 0.00 C ATOM 175 O LYS A 14 -13.615 -2.330 5.053 1.00 0.00 O ATOM 176 CB LYS A 14 -13.445 -4.699 3.503 1.00 0.00 C ATOM 177 CG LYS A 14 -13.147 -5.760 2.454 1.00 0.00 C ATOM 178 CD LYS A 14 -13.786 -7.093 2.808 1.00 0.00 C ATOM 179 CE LYS A 14 -14.820 -7.514 1.777 1.00 0.00 C ATOM 180 NZ LYS A 14 -15.752 -8.538 2.316 1.00 0.00 N ATOM 0 H LYS A 14 -12.128 -5.468 5.432 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.477 -3.895 3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.934 -5.171 4.355 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.151 -3.980 3.088 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.514 -5.426 1.484 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.068 -5.887 2.360 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.013 -7.858 2.882 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.258 -7.021 3.788 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.387 -6.641 1.453 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.315 -7.910 0.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.442 -8.799 1.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.214 -9.381 2.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.253 -8.151 3.141 1.00 0.00 H new ATOM 194 N ILE A 15 -11.699 -1.588 4.135 1.00 0.00 N ATOM 195 CA ILE A 15 -11.909 -0.206 4.544 1.00 0.00 C ATOM 196 C ILE A 15 -13.098 0.397 3.814 1.00 0.00 C ATOM 197 O ILE A 15 -13.019 0.714 2.630 1.00 0.00 O ATOM 198 CB ILE A 15 -10.669 0.678 4.291 1.00 0.00 C ATOM 199 CG1 ILE A 15 -9.435 -0.176 3.972 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.411 1.573 5.496 1.00 0.00 C ATOM 201 CD1 ILE A 15 -8.187 0.639 3.714 1.00 0.00 C ATOM 0 H ILE A 15 -10.830 -1.750 3.627 1.00 0.00 H new ATOM 0 HA ILE A 15 -12.101 -0.230 5.617 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.867 1.307 3.423 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.249 -0.857 4.803 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -9.645 -0.791 3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.534 2.193 5.308 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -11.277 2.212 5.667 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.236 0.956 6.377 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.354 -0.030 3.495 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.354 1.301 2.864 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.952 1.234 4.597 1.00 0.00 H new ATOM 212 N ALA A 16 -14.199 0.543 4.533 1.00 0.00 N ATOM 213 CA ALA A 16 -15.415 1.107 3.972 1.00 0.00 C ATOM 214 C ALA A 16 -15.460 2.609 4.210 1.00 0.00 C ATOM 215 O ALA A 16 -16.325 3.310 3.685 1.00 0.00 O ATOM 216 CB ALA A 16 -16.636 0.435 4.583 1.00 0.00 C ATOM 0 H ALA A 16 -14.275 0.276 5.515 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.421 0.928 2.897 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -17.541 0.866 4.155 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.608 -0.634 4.371 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -16.635 0.591 5.662 1.00 0.00 H new ATOM 222 N ASP A 17 -14.512 3.089 5.006 1.00 0.00 N ATOM 223 CA ASP A 17 -14.418 4.506 5.335 1.00 0.00 C ATOM 224 C ASP A 17 -14.125 5.351 4.105 1.00 0.00 C ATOM 225 O ASP A 17 -13.531 4.879 3.138 1.00 0.00 O ATOM 226 CB ASP A 17 -13.333 4.747 6.387 1.00 0.00 C ATOM 227 CG ASP A 17 -13.900 4.953 7.774 1.00 0.00 C ATOM 228 OD1 ASP A 17 -14.709 5.880 7.959 1.00 0.00 O ATOM 229 OD2 ASP A 17 -13.517 4.206 8.697 1.00 0.00 O ATOM 0 H ASP A 17 -13.791 2.511 5.439 1.00 0.00 H new ATOM 0 HA ASP A 17 -15.386 4.805 5.736 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.651 3.897 6.400 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.747 5.622 6.105 1.00 0.00 H new ATOM 234 N ARG A 18 -14.526 6.612 4.163 1.00 0.00 N ATOM 235 CA ARG A 18 -14.308 7.550 3.067 1.00 0.00 C ATOM 236 C ARG A 18 -12.915 8.171 3.162 1.00 0.00 C ATOM 237 O ARG A 18 -12.564 9.072 2.399 1.00 0.00 O ATOM 238 CB ARG A 18 -15.384 8.646 3.082 1.00 0.00 C ATOM 239 CG ARG A 18 -15.386 9.496 4.346 1.00 0.00 C ATOM 240 CD ARG A 18 -16.633 9.263 5.185 1.00 0.00 C ATOM 241 NE ARG A 18 -16.331 8.505 6.400 1.00 0.00 N ATOM 242 CZ ARG A 18 -16.064 9.055 7.584 1.00 0.00 C ATOM 243 NH1 ARG A 18 -16.248 10.355 7.787 1.00 0.00 N ATOM 244 NH2 ARG A 18 -15.650 8.290 8.578 1.00 0.00 N ATOM 0 H ARG A 18 -15.009 7.015 4.966 1.00 0.00 H new ATOM 0 HA ARG A 18 -14.378 7.005 2.126 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -15.237 9.296 2.220 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -16.363 8.181 2.968 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.501 9.266 4.939 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -15.323 10.550 4.075 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -17.075 10.222 5.454 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -17.374 8.725 4.594 1.00 0.00 H new ATOM 0 HE ARG A 18 -16.324 7.487 6.336 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.598 10.945 7.032 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -16.040 10.763 8.698 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.537 7.286 8.436 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.443 8.703 9.487 1.00 0.00 H new ATOM 258 N PHE A 19 -12.131 7.687 4.117 1.00 0.00 N ATOM 259 CA PHE A 19 -10.773 8.165 4.328 1.00 0.00 C ATOM 260 C PHE A 19 -9.794 6.999 4.230 1.00 0.00 C ATOM 261 O PHE A 19 -9.496 6.347 5.234 1.00 0.00 O ATOM 262 CB PHE A 19 -10.637 8.827 5.706 1.00 0.00 C ATOM 263 CG PHE A 19 -11.593 9.961 5.966 1.00 0.00 C ATOM 264 CD1 PHE A 19 -11.962 10.832 4.953 1.00 0.00 C ATOM 265 CD2 PHE A 19 -12.113 10.162 7.235 1.00 0.00 C ATOM 266 CE1 PHE A 19 -12.832 11.875 5.199 1.00 0.00 C ATOM 267 CE2 PHE A 19 -12.983 11.203 7.486 1.00 0.00 C ATOM 268 CZ PHE A 19 -13.343 12.062 6.467 1.00 0.00 C ATOM 0 H PHE A 19 -12.419 6.954 4.765 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.546 8.904 3.559 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.782 8.067 6.473 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.618 9.199 5.814 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -11.564 10.693 3.959 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.834 9.495 8.037 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -13.113 12.544 4.399 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -13.382 11.346 8.479 1.00 0.00 H new ATOM 0 HZ PHE A 19 -14.023 12.878 6.662 1.00 0.00 H new ATOM 278 N LEU A 20 -9.313 6.717 3.027 1.00 0.00 N ATOM 279 CA LEU A 20 -8.397 5.601 2.819 1.00 0.00 C ATOM 280 C LEU A 20 -7.177 6.040 2.021 1.00 0.00 C ATOM 281 O LEU A 20 -7.202 7.065 1.334 1.00 0.00 O ATOM 282 CB LEU A 20 -9.083 4.424 2.098 1.00 0.00 C ATOM 283 CG LEU A 20 -10.540 4.643 1.662 1.00 0.00 C ATOM 284 CD1 LEU A 20 -10.609 5.522 0.425 1.00 0.00 C ATOM 285 CD2 LEU A 20 -11.220 3.306 1.394 1.00 0.00 C ATOM 0 H LEU A 20 -9.540 7.242 2.183 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.081 5.264 3.806 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.496 4.177 1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.050 3.555 2.756 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.064 5.149 2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.651 5.662 0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.159 6.491 0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.067 5.044 -0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.251 3.478 1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.688 2.779 0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.208 2.703 2.302 1.00 0.00 H new ATOM 297 N LEU A 21 -6.140 5.222 2.067 1.00 0.00 N ATOM 298 CA LEU A 21 -4.942 5.448 1.282 1.00 0.00 C ATOM 299 C LEU A 21 -4.954 4.518 0.080 1.00 0.00 C ATOM 300 O LEU A 21 -5.522 3.430 0.141 1.00 0.00 O ATOM 301 CB LEU A 21 -3.696 5.205 2.131 1.00 0.00 C ATOM 302 CG LEU A 21 -2.568 6.208 1.908 1.00 0.00 C ATOM 303 CD1 LEU A 21 -1.733 6.352 3.164 1.00 0.00 C ATOM 304 CD2 LEU A 21 -1.701 5.784 0.736 1.00 0.00 C ATOM 0 H LEU A 21 -6.106 4.385 2.649 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.922 6.483 0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.980 5.226 3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.320 4.203 1.922 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.009 7.177 1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.933 7.071 2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.363 6.703 3.981 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.302 5.386 3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.902 6.512 0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.268 4.805 0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.310 5.731 -0.167 1.00 0.00 H new ATOM 316 N TYR A 22 -4.409 4.981 -1.029 1.00 0.00 N ATOM 317 CA TYR A 22 -4.413 4.213 -2.265 1.00 0.00 C ATOM 318 C TYR A 22 -2.989 3.878 -2.671 1.00 0.00 C ATOM 319 O TYR A 22 -2.180 4.780 -2.901 1.00 0.00 O ATOM 320 CB TYR A 22 -5.070 5.006 -3.403 1.00 0.00 C ATOM 321 CG TYR A 22 -6.514 5.399 -3.191 1.00 0.00 C ATOM 322 CD1 TYR A 22 -6.896 6.197 -2.120 1.00 0.00 C ATOM 323 CD2 TYR A 22 -7.489 5.004 -4.093 1.00 0.00 C ATOM 324 CE1 TYR A 22 -8.209 6.585 -1.951 1.00 0.00 C ATOM 325 CE2 TYR A 22 -8.807 5.386 -3.929 1.00 0.00 C ATOM 326 CZ TYR A 22 -9.162 6.176 -2.859 1.00 0.00 C ATOM 327 OH TYR A 22 -10.472 6.562 -2.699 1.00 0.00 O ATOM 0 H TYR A 22 -3.954 5.891 -1.102 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.981 3.300 -2.088 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.488 5.913 -3.570 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.006 4.414 -4.316 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.152 6.519 -1.407 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -7.215 4.388 -4.937 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -8.489 7.205 -1.112 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -9.556 5.066 -4.638 1.00 0.00 H new ATOM 0 HH TYR A 22 -11.014 6.189 -3.426 1.00 0.00 H new ATOM 337 N ALA A 23 -2.694 2.595 -2.812 1.00 0.00 N ATOM 338 CA ALA A 23 -1.380 2.177 -3.267 1.00 0.00 C ATOM 339 C ALA A 23 -1.444 0.834 -3.985 1.00 0.00 C ATOM 340 O ALA A 23 -2.024 -0.125 -3.472 1.00 0.00 O ATOM 341 CB ALA A 23 -0.397 2.121 -2.105 1.00 0.00 C ATOM 0 H ALA A 23 -3.342 1.831 -2.619 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.024 2.920 -3.981 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.580 1.805 -2.470 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.313 3.109 -1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.754 1.409 -1.361 1.00 0.00 H new ATOM 347 N MET A 24 -0.891 0.797 -5.201 1.00 0.00 N ATOM 348 CA MET A 24 -0.888 -0.405 -6.039 1.00 0.00 C ATOM 349 C MET A 24 -2.310 -0.828 -6.394 1.00 0.00 C ATOM 350 O MET A 24 -2.631 -2.019 -6.402 1.00 0.00 O ATOM 351 CB MET A 24 -0.151 -1.559 -5.347 1.00 0.00 C ATOM 352 CG MET A 24 1.270 -1.763 -5.847 1.00 0.00 C ATOM 353 SD MET A 24 1.907 -3.415 -5.493 1.00 0.00 S ATOM 354 CE MET A 24 1.837 -3.432 -3.700 1.00 0.00 C ATOM 0 H MET A 24 -0.433 1.600 -5.632 1.00 0.00 H new ATOM 0 HA MET A 24 -0.359 -0.161 -6.960 1.00 0.00 H new ATOM 0 HB2 MET A 24 -0.126 -1.371 -4.274 1.00 0.00 H new ATOM 0 HB3 MET A 24 -0.715 -2.480 -5.496 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.300 -1.590 -6.923 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.922 -1.021 -5.387 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.298 -4.347 -3.327 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.374 -2.569 -3.307 1.00 0.00 H new ATOM 0 HE3 MET A 24 0.797 -3.391 -3.376 1.00 0.00 H new ATOM 364 N ASP A 25 -3.171 0.167 -6.618 1.00 0.00 N ATOM 365 CA ASP A 25 -4.586 -0.059 -6.934 1.00 0.00 C ATOM 366 C ASP A 25 -5.316 -0.748 -5.787 1.00 0.00 C ATOM 367 O ASP A 25 -6.490 -1.095 -5.910 1.00 0.00 O ATOM 368 CB ASP A 25 -4.753 -0.861 -8.231 1.00 0.00 C ATOM 369 CG ASP A 25 -5.133 0.016 -9.409 1.00 0.00 C ATOM 370 OD1 ASP A 25 -6.052 0.854 -9.261 1.00 0.00 O ATOM 371 OD2 ASP A 25 -4.520 -0.125 -10.490 1.00 0.00 O ATOM 0 H ASP A 25 -2.909 1.152 -6.586 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.036 0.923 -7.080 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.822 -1.382 -8.455 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.519 -1.623 -8.087 1.00 0.00 H new ATOM 376 N SER A 26 -4.656 -0.829 -4.641 1.00 0.00 N ATOM 377 CA SER A 26 -5.270 -1.357 -3.438 1.00 0.00 C ATOM 378 C SER A 26 -5.345 -0.263 -2.388 1.00 0.00 C ATOM 379 O SER A 26 -4.824 0.835 -2.596 1.00 0.00 O ATOM 380 CB SER A 26 -4.473 -2.556 -2.921 1.00 0.00 C ATOM 381 OG SER A 26 -3.706 -3.139 -3.965 1.00 0.00 O ATOM 0 H SER A 26 -3.687 -0.532 -4.522 1.00 0.00 H new ATOM 0 HA SER A 26 -6.281 -1.697 -3.664 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.814 -2.239 -2.113 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.154 -3.299 -2.505 1.00 0.00 H new ATOM 0 HG SER A 26 -3.202 -3.903 -3.614 1.00 0.00 H new ATOM 387 N TYR A 27 -6.031 -0.532 -1.293 1.00 0.00 N ATOM 388 CA TYR A 27 -6.196 0.469 -0.258 1.00 0.00 C ATOM 389 C TYR A 27 -5.365 0.125 0.960 1.00 0.00 C ATOM 390 O TYR A 27 -4.936 -1.015 1.132 1.00 0.00 O ATOM 391 CB TYR A 27 -7.669 0.620 0.119 1.00 0.00 C ATOM 392 CG TYR A 27 -8.533 1.137 -1.008 1.00 0.00 C ATOM 393 CD1 TYR A 27 -7.968 1.740 -2.130 1.00 0.00 C ATOM 394 CD2 TYR A 27 -9.914 1.017 -0.954 1.00 0.00 C ATOM 395 CE1 TYR A 27 -8.760 2.203 -3.158 1.00 0.00 C ATOM 396 CE2 TYR A 27 -10.711 1.479 -1.983 1.00 0.00 C ATOM 397 CZ TYR A 27 -10.128 2.071 -3.082 1.00 0.00 C ATOM 398 OH TYR A 27 -10.913 2.531 -4.113 1.00 0.00 O ATOM 0 H TYR A 27 -6.479 -1.427 -1.099 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.845 1.423 -0.651 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.053 -0.347 0.445 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.750 1.298 0.968 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.895 1.846 -2.195 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -10.374 0.555 -0.093 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.308 2.668 -4.022 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.785 1.377 -1.926 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.692 3.467 -4.300 1.00 0.00 H new ATOM 408 N TRP A 28 -5.051 1.141 1.739 1.00 0.00 N ATOM 409 CA TRP A 28 -4.195 0.988 2.901 1.00 0.00 C ATOM 410 C TRP A 28 -4.702 1.856 4.042 1.00 0.00 C ATOM 411 O TRP A 28 -5.348 2.884 3.810 1.00 0.00 O ATOM 412 CB TRP A 28 -2.753 1.407 2.572 1.00 0.00 C ATOM 413 CG TRP A 28 -2.041 0.510 1.602 1.00 0.00 C ATOM 414 CD1 TRP A 28 -2.245 0.430 0.256 1.00 0.00 C ATOM 415 CD2 TRP A 28 -0.994 -0.415 1.904 1.00 0.00 C ATOM 416 NE1 TRP A 28 -1.395 -0.494 -0.297 1.00 0.00 N ATOM 417 CE2 TRP A 28 -0.614 -1.025 0.694 1.00 0.00 C ATOM 418 CE3 TRP A 28 -0.339 -0.787 3.081 1.00 0.00 C ATOM 419 CZ2 TRP A 28 0.389 -1.987 0.630 1.00 0.00 C ATOM 420 CZ3 TRP A 28 0.657 -1.741 3.015 1.00 0.00 C ATOM 421 CH2 TRP A 28 1.013 -2.331 1.798 1.00 0.00 C ATOM 0 H TRP A 28 -5.381 2.094 1.586 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.211 -0.062 3.193 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.767 2.418 2.166 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.180 1.444 3.499 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.971 1.010 -0.295 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -1.352 -0.744 -1.285 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.607 -0.336 4.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.665 -2.446 -0.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 1.170 -2.037 3.918 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.797 -3.074 1.780 1.00 0.00 H new ATOM 432 N HIS A 29 -4.234 1.555 5.239 1.00 0.00 N ATOM 433 CA HIS A 29 -4.431 2.440 6.373 1.00 0.00 C ATOM 434 C HIS A 29 -3.178 3.282 6.535 1.00 0.00 C ATOM 435 O HIS A 29 -2.133 2.941 5.982 1.00 0.00 O ATOM 436 CB HIS A 29 -4.693 1.650 7.658 1.00 0.00 C ATOM 437 CG HIS A 29 -6.098 1.151 7.806 1.00 0.00 C ATOM 438 ND1 HIS A 29 -6.395 -0.185 7.744 1.00 0.00 N ATOM 439 CD2 HIS A 29 -7.244 1.841 8.036 1.00 0.00 C ATOM 440 CE1 HIS A 29 -7.696 -0.292 7.937 1.00 0.00 C ATOM 441 NE2 HIS A 29 -8.258 0.915 8.120 1.00 0.00 N ATOM 0 H HIS A 29 -3.714 0.704 5.452 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.302 3.070 6.191 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.013 0.799 7.691 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.454 2.282 8.513 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.341 2.912 8.134 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.238 -1.226 7.947 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.245 1.107 8.289 1.00 0.00 H new ATOM 449 N SER A 30 -3.267 4.361 7.287 1.00 0.00 N ATOM 450 CA SER A 30 -2.116 5.224 7.505 1.00 0.00 C ATOM 451 C SER A 30 -1.016 4.482 8.260 1.00 0.00 C ATOM 452 O SER A 30 0.161 4.564 7.905 1.00 0.00 O ATOM 453 CB SER A 30 -2.543 6.473 8.272 1.00 0.00 C ATOM 454 OG SER A 30 -3.958 6.602 8.283 1.00 0.00 O ATOM 0 H SER A 30 -4.120 4.663 7.757 1.00 0.00 H new ATOM 0 HA SER A 30 -1.715 5.523 6.536 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.171 6.421 9.295 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.097 7.356 7.814 1.00 0.00 H new ATOM 0 HG SER A 30 -4.209 7.408 8.781 1.00 0.00 H new ATOM 460 N ARG A 31 -1.414 3.725 9.273 1.00 0.00 N ATOM 461 CA ARG A 31 -0.469 2.951 10.070 1.00 0.00 C ATOM 462 C ARG A 31 -0.133 1.626 9.388 1.00 0.00 C ATOM 463 O ARG A 31 0.830 0.953 9.760 1.00 0.00 O ATOM 464 CB ARG A 31 -1.042 2.694 11.465 1.00 0.00 C ATOM 465 CG ARG A 31 -0.030 2.132 12.447 1.00 0.00 C ATOM 466 CD ARG A 31 1.025 3.158 12.813 1.00 0.00 C ATOM 467 NE ARG A 31 2.141 2.530 13.509 1.00 0.00 N ATOM 468 CZ ARG A 31 3.389 2.522 13.062 1.00 0.00 C ATOM 469 NH1 ARG A 31 3.723 3.212 11.980 1.00 0.00 N ATOM 470 NH2 ARG A 31 4.310 1.833 13.716 1.00 0.00 N ATOM 0 H ARG A 31 -2.387 3.629 9.564 1.00 0.00 H new ATOM 0 HA ARG A 31 0.450 3.529 10.163 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.440 3.628 11.862 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.879 2.000 11.382 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.544 1.800 13.349 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.450 1.255 12.013 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.386 3.653 11.911 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.584 3.929 13.445 1.00 0.00 H new ATOM 0 HE ARG A 31 1.949 2.067 14.397 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.017 3.755 11.484 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.686 3.199 11.644 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.057 1.314 14.557 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.273 1.821 13.379 1.00 0.00 H new ATOM 484 N CYS A 32 -0.929 1.256 8.392 1.00 0.00 N ATOM 485 CA CYS A 32 -0.706 0.018 7.664 1.00 0.00 C ATOM 486 C CYS A 32 0.298 0.225 6.536 1.00 0.00 C ATOM 487 O CYS A 32 1.206 -0.589 6.345 1.00 0.00 O ATOM 488 CB CYS A 32 -2.024 -0.514 7.122 1.00 0.00 C ATOM 489 SG CYS A 32 -3.113 -1.184 8.416 1.00 0.00 S ATOM 0 H CYS A 32 -1.733 1.796 8.072 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.289 -0.718 8.351 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.544 0.288 6.598 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.819 -1.294 6.389 1.00 0.00 H new ATOM 0 HG CYS A 32 -4.349 -0.892 8.137 1.00 0.00 H new ATOM 494 N LEU A 33 0.228 1.384 5.896 1.00 0.00 N ATOM 495 CA LEU A 33 1.243 1.768 4.931 1.00 0.00 C ATOM 496 C LEU A 33 2.432 2.347 5.680 1.00 0.00 C ATOM 497 O LEU A 33 2.638 3.562 5.728 1.00 0.00 O ATOM 498 CB LEU A 33 0.700 2.776 3.915 1.00 0.00 C ATOM 499 CG LEU A 33 1.653 3.098 2.763 1.00 0.00 C ATOM 500 CD1 LEU A 33 1.810 1.903 1.836 1.00 0.00 C ATOM 501 CD2 LEU A 33 1.162 4.304 1.990 1.00 0.00 C ATOM 0 H LEU A 33 -0.516 2.069 6.028 1.00 0.00 H new ATOM 0 HA LEU A 33 1.552 0.886 4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.231 2.389 3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.456 3.702 4.436 1.00 0.00 H new ATOM 0 HG LEU A 33 2.630 3.329 3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.493 2.158 1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.212 1.058 2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.839 1.634 1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.852 4.519 1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.172 4.097 1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.108 5.165 2.656 1.00 0.00 H new ATOM 513 N LYS A 34 3.111 1.472 6.395 1.00 0.00 N ATOM 514 CA LYS A 34 4.189 1.864 7.277 1.00 0.00 C ATOM 515 C LYS A 34 5.482 1.210 6.865 1.00 0.00 C ATOM 516 O LYS A 34 5.496 0.240 6.098 1.00 0.00 O ATOM 517 CB LYS A 34 3.844 1.503 8.730 1.00 0.00 C ATOM 518 CG LYS A 34 4.243 0.090 9.138 1.00 0.00 C ATOM 519 CD LYS A 34 3.131 -0.908 8.859 1.00 0.00 C ATOM 520 CE LYS A 34 3.669 -2.319 8.702 1.00 0.00 C ATOM 521 NZ LYS A 34 2.725 -3.335 9.240 1.00 0.00 N ATOM 0 H LYS A 34 2.930 0.468 6.380 1.00 0.00 H new ATOM 0 HA LYS A 34 4.317 2.944 7.205 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.336 2.213 9.395 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.770 1.621 8.876 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.142 -0.205 8.597 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.490 0.073 10.200 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.407 -0.883 9.673 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.601 -0.618 7.952 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.857 -2.521 7.647 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.625 -2.403 9.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.129 -4.285 9.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.565 -3.158 10.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.821 -3.273 8.730 1.00 0.00 H new ATOM 535 N CYS A 35 6.541 1.750 7.428 1.00 0.00 N ATOM 536 CA CYS A 35 7.882 1.246 7.288 1.00 0.00 C ATOM 537 C CYS A 35 7.901 -0.285 7.392 1.00 0.00 C ATOM 538 O CYS A 35 7.401 -0.851 8.365 1.00 0.00 O ATOM 539 CB CYS A 35 8.659 1.858 8.439 1.00 0.00 C ATOM 540 SG CYS A 35 9.693 3.307 8.043 1.00 0.00 S ATOM 0 H CYS A 35 6.485 2.582 8.016 1.00 0.00 H new ATOM 0 HA CYS A 35 8.309 1.502 6.319 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.949 2.147 9.214 1.00 0.00 H new ATOM 0 HB3 CYS A 35 9.301 1.087 8.866 1.00 0.00 H new ATOM 0 HG CYS A 35 10.310 3.105 6.917 1.00 0.00 H new ATOM 545 N SER A 36 8.372 -0.939 6.341 1.00 0.00 N ATOM 546 CA SER A 36 8.308 -2.393 6.241 1.00 0.00 C ATOM 547 C SER A 36 9.023 -3.095 7.394 1.00 0.00 C ATOM 548 O SER A 36 8.536 -4.099 7.917 1.00 0.00 O ATOM 549 CB SER A 36 8.913 -2.827 4.912 1.00 0.00 C ATOM 550 OG SER A 36 9.328 -1.694 4.171 1.00 0.00 O ATOM 0 H SER A 36 8.806 -0.483 5.538 1.00 0.00 H new ATOM 0 HA SER A 36 7.259 -2.684 6.298 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.763 -3.486 5.089 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.181 -3.397 4.340 1.00 0.00 H new ATOM 0 HG SER A 36 8.908 -1.711 3.286 1.00 0.00 H new ATOM 556 N SER A 37 10.225 -2.643 7.702 1.00 0.00 N ATOM 557 CA SER A 37 11.045 -3.308 8.704 1.00 0.00 C ATOM 558 C SER A 37 11.311 -2.399 9.897 1.00 0.00 C ATOM 559 O SER A 37 11.789 -2.846 10.940 1.00 0.00 O ATOM 560 CB SER A 37 12.367 -3.733 8.076 1.00 0.00 C ATOM 561 OG SER A 37 12.155 -4.430 6.857 1.00 0.00 O ATOM 0 H SER A 37 10.656 -1.822 7.276 1.00 0.00 H new ATOM 0 HA SER A 37 10.504 -4.184 9.063 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.985 -2.854 7.893 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.915 -4.369 8.771 1.00 0.00 H new ATOM 0 HG SER A 37 13.019 -4.690 6.474 1.00 0.00 H new ATOM 567 N CYS A 38 11.147 -1.112 9.678 1.00 0.00 N ATOM 568 CA CYS A 38 11.518 -0.120 10.661 1.00 0.00 C ATOM 569 C CYS A 38 10.302 0.319 11.487 1.00 0.00 C ATOM 570 O CYS A 38 10.439 0.860 12.584 1.00 0.00 O ATOM 571 CB CYS A 38 12.147 1.040 9.906 1.00 0.00 C ATOM 572 SG CYS A 38 12.380 0.683 8.124 1.00 0.00 S ATOM 0 H CYS A 38 10.755 -0.727 8.819 1.00 0.00 H new ATOM 0 HA CYS A 38 12.231 -0.527 11.378 1.00 0.00 H new ATOM 0 HB2 CYS A 38 11.518 1.923 10.016 1.00 0.00 H new ATOM 0 HB3 CYS A 38 13.112 1.278 10.353 1.00 0.00 H new ATOM 0 HG CYS A 38 11.571 1.421 7.424 1.00 0.00 H new ATOM 577 N GLN A 39 9.120 0.013 10.958 1.00 0.00 N ATOM 578 CA GLN A 39 7.832 0.267 11.617 1.00 0.00 C ATOM 579 C GLN A 39 7.642 1.718 12.069 1.00 0.00 C ATOM 580 O GLN A 39 6.785 1.994 12.904 1.00 0.00 O ATOM 581 CB GLN A 39 7.623 -0.671 12.809 1.00 0.00 C ATOM 582 CG GLN A 39 7.901 -2.134 12.499 1.00 0.00 C ATOM 583 CD GLN A 39 6.954 -2.706 11.463 1.00 0.00 C ATOM 584 OE1 GLN A 39 5.786 -2.320 11.386 1.00 0.00 O ATOM 585 NE2 GLN A 39 7.446 -3.642 10.669 1.00 0.00 N ATOM 0 H GLN A 39 9.024 -0.427 10.043 1.00 0.00 H new ATOM 0 HA GLN A 39 7.079 0.069 10.854 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.271 -0.354 13.626 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.596 -0.573 13.160 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.926 -2.237 12.143 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.822 -2.716 13.417 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.419 -3.933 10.766 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.853 -4.073 9.960 1.00 0.00 H new ATOM 594 N ALA A 40 8.303 2.657 11.411 1.00 0.00 N ATOM 595 CA ALA A 40 8.011 4.058 11.626 1.00 0.00 C ATOM 596 C ALA A 40 6.811 4.460 10.768 1.00 0.00 C ATOM 597 O ALA A 40 6.069 3.605 10.275 1.00 0.00 O ATOM 598 CB ALA A 40 9.231 4.910 11.300 1.00 0.00 C ATOM 0 H ALA A 40 9.039 2.473 10.729 1.00 0.00 H new ATOM 0 HA ALA A 40 7.764 4.224 12.675 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.996 5.961 11.467 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.061 4.618 11.943 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.510 4.762 10.257 1.00 0.00 H new ATOM 604 N GLN A 41 6.641 5.749 10.560 1.00 0.00 N ATOM 605 CA GLN A 41 5.568 6.250 9.710 1.00 0.00 C ATOM 606 C GLN A 41 6.127 6.634 8.344 1.00 0.00 C ATOM 607 O GLN A 41 7.024 7.473 8.252 1.00 0.00 O ATOM 608 CB GLN A 41 4.881 7.450 10.368 1.00 0.00 C ATOM 609 CG GLN A 41 3.361 7.482 10.219 1.00 0.00 C ATOM 610 CD GLN A 41 2.771 6.190 9.681 1.00 0.00 C ATOM 611 OE1 GLN A 41 2.755 5.164 10.363 1.00 0.00 O ATOM 612 NE2 GLN A 41 2.268 6.239 8.459 1.00 0.00 N ATOM 0 H GLN A 41 7.231 6.475 10.967 1.00 0.00 H new ATOM 0 HA GLN A 41 4.825 5.464 9.577 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.128 7.454 11.430 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.293 8.365 9.942 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.915 7.698 11.190 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.088 8.300 9.553 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.302 7.109 7.928 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.846 5.406 8.047 1.00 0.00 H new ATOM 621 N LEU A 42 5.645 5.967 7.298 1.00 0.00 N ATOM 622 CA LEU A 42 6.146 6.189 5.944 1.00 0.00 C ATOM 623 C LEU A 42 5.977 7.643 5.519 1.00 0.00 C ATOM 624 O LEU A 42 6.950 8.331 5.211 1.00 0.00 O ATOM 625 CB LEU A 42 5.416 5.285 4.943 1.00 0.00 C ATOM 626 CG LEU A 42 5.901 3.839 4.876 1.00 0.00 C ATOM 627 CD1 LEU A 42 5.361 3.159 3.629 1.00 0.00 C ATOM 628 CD2 LEU A 42 7.415 3.783 4.889 1.00 0.00 C ATOM 0 H LEU A 42 4.906 5.267 7.363 1.00 0.00 H new ATOM 0 HA LEU A 42 7.209 5.946 5.949 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.355 5.281 5.193 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.508 5.726 3.950 1.00 0.00 H new ATOM 0 HG LEU A 42 5.528 3.310 5.753 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.715 2.129 3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.271 3.168 3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.709 3.692 2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.741 2.744 4.841 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.807 4.327 4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.788 4.238 5.807 1.00 0.00 H new ATOM 640 N GLY A 43 4.733 8.105 5.487 1.00 0.00 N ATOM 641 CA GLY A 43 4.451 9.453 5.034 1.00 0.00 C ATOM 642 C GLY A 43 4.576 10.489 6.132 1.00 0.00 C ATOM 643 O GLY A 43 3.771 11.416 6.207 1.00 0.00 O ATOM 0 H GLY A 43 3.912 7.568 5.768 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.134 9.708 4.224 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.442 9.488 4.623 1.00 0.00 H new ATOM 647 N ASP A 44 5.594 10.347 6.972 1.00 0.00 N ATOM 648 CA ASP A 44 5.821 11.301 8.051 1.00 0.00 C ATOM 649 C ASP A 44 7.046 12.159 7.771 1.00 0.00 C ATOM 650 O ASP A 44 7.147 13.290 8.240 1.00 0.00 O ATOM 651 CB ASP A 44 5.987 10.581 9.386 1.00 0.00 C ATOM 652 CG ASP A 44 5.727 11.492 10.570 1.00 0.00 C ATOM 653 OD1 ASP A 44 5.077 12.545 10.391 1.00 0.00 O ATOM 654 OD2 ASP A 44 6.165 11.154 11.691 1.00 0.00 O ATOM 0 H ASP A 44 6.272 9.586 6.928 1.00 0.00 H new ATOM 0 HA ASP A 44 4.947 11.949 8.108 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.303 9.733 9.426 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.998 10.179 9.456 1.00 0.00 H new ATOM 659 N ILE A 45 7.960 11.628 6.975 1.00 0.00 N ATOM 660 CA ILE A 45 9.160 12.359 6.596 1.00 0.00 C ATOM 661 C ILE A 45 9.133 12.666 5.104 1.00 0.00 C ATOM 662 O ILE A 45 10.161 12.948 4.489 1.00 0.00 O ATOM 663 CB ILE A 45 10.443 11.567 6.935 1.00 0.00 C ATOM 664 CG1 ILE A 45 10.192 10.057 6.835 1.00 0.00 C ATOM 665 CG2 ILE A 45 10.937 11.932 8.330 1.00 0.00 C ATOM 666 CD1 ILE A 45 10.601 9.460 5.506 1.00 0.00 C ATOM 0 H ILE A 45 7.894 10.691 6.578 1.00 0.00 H new ATOM 0 HA ILE A 45 9.174 13.288 7.166 1.00 0.00 H new ATOM 0 HB ILE A 45 11.212 11.834 6.211 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.737 9.553 7.633 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.132 9.862 7.000 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.841 11.367 8.555 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.157 12.999 8.371 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.167 11.692 9.063 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.394 8.390 5.509 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.037 9.937 4.704 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.667 9.623 5.346 1.00 0.00 H new ATOM 677 N GLY A 46 7.948 12.544 4.526 1.00 0.00 N ATOM 678 CA GLY A 46 7.785 12.717 3.100 1.00 0.00 C ATOM 679 C GLY A 46 7.081 11.524 2.492 1.00 0.00 C ATOM 680 O GLY A 46 7.446 10.383 2.772 1.00 0.00 O ATOM 0 H GLY A 46 7.087 12.326 5.027 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.212 13.623 2.902 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.760 12.848 2.631 1.00 0.00 H new ATOM 684 N THR A 47 5.983 11.766 1.794 1.00 0.00 N ATOM 685 CA THR A 47 5.168 10.674 1.294 1.00 0.00 C ATOM 686 C THR A 47 5.763 10.066 0.024 1.00 0.00 C ATOM 687 O THR A 47 5.555 10.571 -1.078 1.00 0.00 O ATOM 688 CB THR A 47 3.743 11.171 0.996 1.00 0.00 C ATOM 689 OG1 THR A 47 3.751 12.601 0.875 1.00 0.00 O ATOM 690 CG2 THR A 47 2.778 10.760 2.099 1.00 0.00 C ATOM 0 H THR A 47 5.639 12.698 1.563 1.00 0.00 H new ATOM 0 HA THR A 47 5.140 9.905 2.066 1.00 0.00 H new ATOM 0 HB THR A 47 3.409 10.719 0.062 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.844 12.918 0.683 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.778 11.124 1.862 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.758 9.673 2.179 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.105 11.188 3.047 1.00 0.00 H new ATOM 698 N SER A 48 6.403 8.915 0.179 1.00 0.00 N ATOM 699 CA SER A 48 6.933 8.165 -0.948 1.00 0.00 C ATOM 700 C SER A 48 7.216 6.725 -0.541 1.00 0.00 C ATOM 701 O SER A 48 8.118 6.464 0.256 1.00 0.00 O ATOM 702 CB SER A 48 8.206 8.816 -1.485 1.00 0.00 C ATOM 703 OG SER A 48 8.017 9.299 -2.804 1.00 0.00 O ATOM 0 H SER A 48 6.568 8.478 1.086 1.00 0.00 H new ATOM 0 HA SER A 48 6.183 8.169 -1.739 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.500 9.638 -0.833 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.021 8.092 -1.473 1.00 0.00 H new ATOM 0 HG SER A 48 8.889 9.440 -3.229 1.00 0.00 H new ATOM 709 N SER A 49 6.448 5.802 -1.082 1.00 0.00 N ATOM 710 CA SER A 49 6.640 4.391 -0.797 1.00 0.00 C ATOM 711 C SER A 49 7.308 3.709 -1.978 1.00 0.00 C ATOM 712 O SER A 49 7.026 4.033 -3.132 1.00 0.00 O ATOM 713 CB SER A 49 5.297 3.730 -0.502 1.00 0.00 C ATOM 714 OG SER A 49 4.264 4.361 -1.239 1.00 0.00 O ATOM 0 H SER A 49 5.681 6.003 -1.724 1.00 0.00 H new ATOM 0 HA SER A 49 7.282 4.291 0.078 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.341 2.672 -0.758 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.081 3.791 0.565 1.00 0.00 H new ATOM 0 HG SER A 49 3.408 3.926 -1.041 1.00 0.00 H new ATOM 720 N TYR A 50 8.233 2.812 -1.686 1.00 0.00 N ATOM 721 CA TYR A 50 8.978 2.127 -2.725 1.00 0.00 C ATOM 722 C TYR A 50 8.442 0.723 -2.942 1.00 0.00 C ATOM 723 O TYR A 50 8.407 -0.085 -2.016 1.00 0.00 O ATOM 724 CB TYR A 50 10.459 2.074 -2.369 1.00 0.00 C ATOM 725 CG TYR A 50 11.263 3.133 -3.074 1.00 0.00 C ATOM 726 CD1 TYR A 50 11.564 3.012 -4.422 1.00 0.00 C ATOM 727 CD2 TYR A 50 11.702 4.261 -2.399 1.00 0.00 C ATOM 728 CE1 TYR A 50 12.285 3.984 -5.078 1.00 0.00 C ATOM 729 CE2 TYR A 50 12.425 5.238 -3.048 1.00 0.00 C ATOM 730 CZ TYR A 50 12.713 5.097 -4.389 1.00 0.00 C ATOM 731 OH TYR A 50 13.433 6.068 -5.043 1.00 0.00 O ATOM 0 H TYR A 50 8.486 2.541 -0.736 1.00 0.00 H new ATOM 0 HA TYR A 50 8.857 2.687 -3.652 1.00 0.00 H new ATOM 0 HB2 TYR A 50 10.574 2.193 -1.292 1.00 0.00 H new ATOM 0 HB3 TYR A 50 10.855 1.092 -2.625 1.00 0.00 H new ATOM 0 HD1 TYR A 50 11.228 2.142 -4.966 1.00 0.00 H new ATOM 0 HD2 TYR A 50 11.474 4.376 -1.350 1.00 0.00 H new ATOM 0 HE1 TYR A 50 12.514 3.874 -6.128 1.00 0.00 H new ATOM 0 HE2 TYR A 50 12.764 6.110 -2.509 1.00 0.00 H new ATOM 0 HH TYR A 50 13.658 6.787 -4.416 1.00 0.00 H new ATOM 741 N THR A 51 8.044 0.439 -4.168 1.00 0.00 N ATOM 742 CA THR A 51 7.529 -0.871 -4.519 1.00 0.00 C ATOM 743 C THR A 51 8.617 -1.733 -5.146 1.00 0.00 C ATOM 744 O THR A 51 8.991 -1.535 -6.302 1.00 0.00 O ATOM 745 CB THR A 51 6.355 -0.743 -5.501 1.00 0.00 C ATOM 746 OG1 THR A 51 5.894 0.616 -5.520 1.00 0.00 O ATOM 747 CG2 THR A 51 5.215 -1.667 -5.106 1.00 0.00 C ATOM 0 H THR A 51 8.068 1.103 -4.942 1.00 0.00 H new ATOM 0 HA THR A 51 7.183 -1.348 -3.602 1.00 0.00 H new ATOM 0 HB THR A 51 6.699 -1.030 -6.495 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.981 0.978 -6.426 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.396 -1.558 -5.816 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.565 -2.699 -5.111 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.866 -1.407 -4.107 1.00 0.00 H new ATOM 755 N LYS A 52 9.129 -2.677 -4.379 1.00 0.00 N ATOM 756 CA LYS A 52 10.174 -3.561 -4.861 1.00 0.00 C ATOM 757 C LYS A 52 10.132 -4.879 -4.110 1.00 0.00 C ATOM 758 O LYS A 52 9.811 -4.907 -2.921 1.00 0.00 O ATOM 759 CB LYS A 52 11.549 -2.905 -4.706 1.00 0.00 C ATOM 760 CG LYS A 52 12.312 -2.809 -6.016 1.00 0.00 C ATOM 761 CD LYS A 52 12.877 -1.418 -6.240 1.00 0.00 C ATOM 762 CE LYS A 52 13.761 -1.371 -7.475 1.00 0.00 C ATOM 763 NZ LYS A 52 13.284 -0.366 -8.464 1.00 0.00 N ATOM 0 H LYS A 52 8.838 -2.852 -3.417 1.00 0.00 H new ATOM 0 HA LYS A 52 10.003 -3.754 -5.920 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.424 -1.905 -4.291 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.139 -3.476 -3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.124 -3.536 -6.017 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.650 -3.070 -6.842 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.060 -0.705 -6.348 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.453 -1.113 -5.367 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.783 -1.133 -7.180 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.785 -2.356 -7.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.915 -0.366 -9.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.318 -0.607 -8.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.285 0.578 -8.028 1.00 0.00 H new ATOM 777 N SER A 53 10.393 -5.969 -4.827 1.00 0.00 N ATOM 778 CA SER A 53 10.373 -7.312 -4.249 1.00 0.00 C ATOM 779 C SER A 53 8.969 -7.705 -3.796 1.00 0.00 C ATOM 780 O SER A 53 8.805 -8.547 -2.910 1.00 0.00 O ATOM 781 CB SER A 53 11.340 -7.390 -3.065 1.00 0.00 C ATOM 782 OG SER A 53 12.681 -7.178 -3.483 1.00 0.00 O ATOM 0 H SER A 53 10.623 -5.948 -5.820 1.00 0.00 H new ATOM 0 HA SER A 53 10.688 -8.012 -5.023 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.067 -6.644 -2.319 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.255 -8.366 -2.586 1.00 0.00 H new ATOM 0 HG SER A 53 13.105 -6.516 -2.898 1.00 0.00 H new ATOM 788 N GLY A 54 7.962 -7.046 -4.359 1.00 0.00 N ATOM 789 CA GLY A 54 6.592 -7.289 -3.951 1.00 0.00 C ATOM 790 C GLY A 54 6.290 -6.679 -2.596 1.00 0.00 C ATOM 791 O GLY A 54 5.232 -6.919 -2.013 1.00 0.00 O ATOM 0 H GLY A 54 8.071 -6.346 -5.093 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.912 -6.875 -4.696 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.409 -8.363 -3.915 1.00 0.00 H new ATOM 795 N MET A 55 7.228 -5.890 -2.096 1.00 0.00 N ATOM 796 CA MET A 55 7.083 -5.245 -0.804 1.00 0.00 C ATOM 797 C MET A 55 7.163 -3.731 -0.961 1.00 0.00 C ATOM 798 O MET A 55 7.517 -3.226 -2.029 1.00 0.00 O ATOM 799 CB MET A 55 8.157 -5.756 0.171 1.00 0.00 C ATOM 800 CG MET A 55 9.422 -4.911 0.213 1.00 0.00 C ATOM 801 SD MET A 55 10.613 -5.501 1.433 1.00 0.00 S ATOM 802 CE MET A 55 11.875 -6.192 0.364 1.00 0.00 C ATOM 0 H MET A 55 8.105 -5.681 -2.572 1.00 0.00 H new ATOM 0 HA MET A 55 6.105 -5.494 -0.391 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.730 -5.799 1.173 1.00 0.00 H new ATOM 0 HB3 MET A 55 8.425 -6.776 -0.105 1.00 0.00 H new ATOM 0 HG2 MET A 55 9.887 -4.911 -0.773 1.00 0.00 H new ATOM 0 HG3 MET A 55 9.157 -3.878 0.440 1.00 0.00 H new ATOM 0 HE1 MET A 55 12.782 -6.371 0.941 1.00 0.00 H new ATOM 0 HE2 MET A 55 11.521 -7.133 -0.056 1.00 0.00 H new ATOM 0 HE3 MET A 55 12.090 -5.493 -0.444 1.00 0.00 H new ATOM 812 N ILE A 56 6.806 -3.017 0.090 1.00 0.00 N ATOM 813 CA ILE A 56 6.803 -1.563 0.065 1.00 0.00 C ATOM 814 C ILE A 56 7.668 -1.006 1.192 1.00 0.00 C ATOM 815 O ILE A 56 7.429 -1.286 2.370 1.00 0.00 O ATOM 816 CB ILE A 56 5.356 -1.008 0.166 1.00 0.00 C ATOM 817 CG1 ILE A 56 4.738 -0.902 -1.229 1.00 0.00 C ATOM 818 CG2 ILE A 56 5.324 0.349 0.863 1.00 0.00 C ATOM 819 CD1 ILE A 56 3.260 -0.568 -1.222 1.00 0.00 C ATOM 0 H ILE A 56 6.512 -3.422 0.979 1.00 0.00 H new ATOM 0 HA ILE A 56 7.224 -1.241 -0.887 1.00 0.00 H new ATOM 0 HB ILE A 56 4.770 -1.703 0.768 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.271 -0.137 -1.794 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.885 -1.846 -1.753 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.296 0.707 0.916 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.726 0.250 1.871 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.928 1.061 0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.895 -0.510 -2.248 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.714 -1.344 -0.686 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.106 0.391 -0.728 1.00 0.00 H new ATOM 830 N LEU A 57 8.669 -0.216 0.826 1.00 0.00 N ATOM 831 CA LEU A 57 9.537 0.415 1.807 1.00 0.00 C ATOM 832 C LEU A 57 9.360 1.911 1.808 1.00 0.00 C ATOM 833 O LEU A 57 8.534 2.479 1.087 1.00 0.00 O ATOM 834 CB LEU A 57 11.021 0.125 1.552 1.00 0.00 C ATOM 835 CG LEU A 57 11.474 -1.304 1.819 1.00 0.00 C ATOM 836 CD1 LEU A 57 11.954 -1.960 0.537 1.00 0.00 C ATOM 837 CD2 LEU A 57 12.570 -1.319 2.875 1.00 0.00 C ATOM 0 H LEU A 57 8.899 0.002 -0.144 1.00 0.00 H new ATOM 0 HA LEU A 57 9.247 -0.008 2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.246 0.369 0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.615 0.796 2.173 1.00 0.00 H new ATOM 0 HG LEU A 57 10.625 -1.875 2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.274 -2.981 0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.141 -1.977 -0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.792 -1.394 0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.886 -2.346 3.057 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.421 -0.735 2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.190 -0.887 3.800 1.00 0.00 H new ATOM 849 N CYS A 58 10.177 2.509 2.627 1.00 0.00 N ATOM 850 CA CYS A 58 10.225 3.921 2.854 1.00 0.00 C ATOM 851 C CYS A 58 11.237 4.580 1.932 1.00 0.00 C ATOM 852 O CYS A 58 12.302 4.024 1.690 1.00 0.00 O ATOM 853 CB CYS A 58 10.667 4.022 4.287 1.00 0.00 C ATOM 854 SG CYS A 58 11.372 2.418 4.813 1.00 0.00 S ATOM 0 H CYS A 58 10.862 1.996 3.182 1.00 0.00 H new ATOM 0 HA CYS A 58 9.275 4.419 2.661 1.00 0.00 H new ATOM 0 HB2 CYS A 58 11.409 4.813 4.396 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.822 4.288 4.923 1.00 0.00 H new ATOM 0 HG CYS A 58 12.315 2.068 3.990 1.00 0.00 H new ATOM 859 N ARG A 59 10.973 5.810 1.535 1.00 0.00 N ATOM 860 CA ARG A 59 11.945 6.571 0.759 1.00 0.00 C ATOM 861 C ARG A 59 13.195 6.820 1.603 1.00 0.00 C ATOM 862 O ARG A 59 14.290 7.035 1.086 1.00 0.00 O ATOM 863 CB ARG A 59 11.329 7.902 0.299 1.00 0.00 C ATOM 864 CG ARG A 59 12.328 8.888 -0.291 1.00 0.00 C ATOM 865 CD ARG A 59 12.979 8.336 -1.548 1.00 0.00 C ATOM 866 NE ARG A 59 12.597 9.088 -2.735 1.00 0.00 N ATOM 867 CZ ARG A 59 13.357 10.015 -3.304 1.00 0.00 C ATOM 868 NH1 ARG A 59 14.578 10.259 -2.849 1.00 0.00 N ATOM 869 NH2 ARG A 59 12.896 10.687 -4.348 1.00 0.00 N ATOM 0 H ARG A 59 10.103 6.304 1.733 1.00 0.00 H new ATOM 0 HA ARG A 59 12.226 6.000 -0.126 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.560 7.694 -0.445 1.00 0.00 H new ATOM 0 HB3 ARG A 59 10.833 8.371 1.148 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.822 9.825 -0.523 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.096 9.115 0.448 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.063 8.361 -1.436 1.00 0.00 H new ATOM 0 HD3 ARG A 59 12.696 7.291 -1.674 1.00 0.00 H new ATOM 0 HE ARG A 59 11.689 8.890 -3.155 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.941 9.732 -2.055 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.154 10.974 -3.293 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.963 10.490 -4.709 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.474 11.401 -4.791 1.00 0.00 H new ATOM 883 N ASN A 60 13.018 6.743 2.911 1.00 0.00 N ATOM 884 CA ASN A 60 14.100 6.969 3.850 1.00 0.00 C ATOM 885 C ASN A 60 14.940 5.713 4.072 1.00 0.00 C ATOM 886 O ASN A 60 16.137 5.809 4.338 1.00 0.00 O ATOM 887 CB ASN A 60 13.527 7.437 5.189 1.00 0.00 C ATOM 888 CG ASN A 60 14.598 7.832 6.187 1.00 0.00 C ATOM 889 OD1 ASN A 60 15.170 8.919 6.102 1.00 0.00 O ATOM 890 ND2 ASN A 60 14.877 6.956 7.142 1.00 0.00 N ATOM 0 H ASN A 60 12.124 6.523 3.349 1.00 0.00 H new ATOM 0 HA ASN A 60 14.750 7.734 3.425 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.867 8.287 5.018 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.917 6.640 5.615 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.588 7.172 7.841 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.381 6.066 7.178 1.00 0.00 H new ATOM 897 N ASP A 61 14.296 4.551 4.122 1.00 0.00 N ATOM 898 CA ASP A 61 14.988 3.344 4.556 1.00 0.00 C ATOM 899 C ASP A 61 15.260 2.391 3.394 1.00 0.00 C ATOM 900 O ASP A 61 16.123 1.523 3.493 1.00 0.00 O ATOM 901 CB ASP A 61 14.188 2.654 5.664 1.00 0.00 C ATOM 902 CG ASP A 61 14.051 3.523 6.912 1.00 0.00 C ATOM 903 OD1 ASP A 61 15.101 3.953 7.457 1.00 0.00 O ATOM 904 OD2 ASP A 61 12.898 3.815 7.333 1.00 0.00 O ATOM 0 H ASP A 61 13.316 4.420 3.873 1.00 0.00 H new ATOM 0 HA ASP A 61 15.960 3.636 4.953 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.196 2.403 5.289 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.675 1.716 5.930 1.00 0.00 H new ATOM 909 N TYR A 62 14.587 2.613 2.268 1.00 0.00 N ATOM 910 CA TYR A 62 14.840 1.844 1.046 1.00 0.00 C ATOM 911 C TYR A 62 16.318 1.920 0.660 1.00 0.00 C ATOM 912 O TYR A 62 16.881 0.971 0.120 1.00 0.00 O ATOM 913 CB TYR A 62 13.966 2.387 -0.092 1.00 0.00 C ATOM 914 CG TYR A 62 14.396 1.982 -1.486 1.00 0.00 C ATOM 915 CD1 TYR A 62 13.991 0.773 -2.031 1.00 0.00 C ATOM 916 CD2 TYR A 62 15.185 2.822 -2.266 1.00 0.00 C ATOM 917 CE1 TYR A 62 14.358 0.409 -3.311 1.00 0.00 C ATOM 918 CE2 TYR A 62 15.562 2.463 -3.545 1.00 0.00 C ATOM 919 CZ TYR A 62 15.144 1.256 -4.065 1.00 0.00 C ATOM 920 OH TYR A 62 15.508 0.895 -5.346 1.00 0.00 O ATOM 0 H TYR A 62 13.859 3.321 2.173 1.00 0.00 H new ATOM 0 HA TYR A 62 14.588 0.799 1.227 1.00 0.00 H new ATOM 0 HB2 TYR A 62 12.941 2.051 0.067 1.00 0.00 H new ATOM 0 HB3 TYR A 62 13.957 3.475 -0.034 1.00 0.00 H new ATOM 0 HD1 TYR A 62 13.378 0.105 -1.444 1.00 0.00 H new ATOM 0 HD2 TYR A 62 15.508 3.771 -1.864 1.00 0.00 H new ATOM 0 HE1 TYR A 62 14.031 -0.535 -3.721 1.00 0.00 H new ATOM 0 HE2 TYR A 62 16.181 3.123 -4.135 1.00 0.00 H new ATOM 0 HH TYR A 62 16.060 1.602 -5.741 1.00 0.00 H new ATOM 930 N ILE A 63 16.946 3.045 0.986 1.00 0.00 N ATOM 931 CA ILE A 63 18.358 3.266 0.679 1.00 0.00 C ATOM 932 C ILE A 63 19.265 2.367 1.524 1.00 0.00 C ATOM 933 O ILE A 63 20.432 2.165 1.194 1.00 0.00 O ATOM 934 CB ILE A 63 18.768 4.740 0.900 1.00 0.00 C ATOM 935 CG1 ILE A 63 17.554 5.672 0.766 1.00 0.00 C ATOM 936 CG2 ILE A 63 19.867 5.141 -0.075 1.00 0.00 C ATOM 937 CD1 ILE A 63 17.024 5.800 -0.649 1.00 0.00 C ATOM 0 H ILE A 63 16.497 3.824 1.467 1.00 0.00 H new ATOM 0 HA ILE A 63 18.484 3.015 -0.374 1.00 0.00 H new ATOM 0 HB ILE A 63 19.157 4.837 1.914 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.755 5.305 1.410 1.00 0.00 H new ATOM 0 HG13 ILE A 63 17.828 6.662 1.131 1.00 0.00 H new ATOM 0 HG21 ILE A 63 20.143 6.182 0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 63 20.739 4.505 0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 63 19.507 5.024 -1.097 1.00 0.00 H new ATOM 0 HD11 ILE A 63 16.168 6.475 -0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 63 17.806 6.198 -1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 63 16.716 4.819 -1.012 1.00 0.00 H new ATOM 948 N ARG A 64 18.716 1.796 2.587 1.00 0.00 N ATOM 949 CA ARG A 64 19.469 0.882 3.439 1.00 0.00 C ATOM 950 C ARG A 64 19.144 -0.569 3.075 1.00 0.00 C ATOM 951 O ARG A 64 19.750 -1.509 3.593 1.00 0.00 O ATOM 952 CB ARG A 64 19.177 1.173 4.924 1.00 0.00 C ATOM 953 CG ARG A 64 18.203 0.208 5.587 1.00 0.00 C ATOM 954 CD ARG A 64 17.279 0.918 6.566 1.00 0.00 C ATOM 955 NE ARG A 64 18.010 1.752 7.522 1.00 0.00 N ATOM 956 CZ ARG A 64 17.725 1.830 8.821 1.00 0.00 C ATOM 957 NH1 ARG A 64 16.726 1.120 9.337 1.00 0.00 N ATOM 958 NH2 ARG A 64 18.442 2.622 9.605 1.00 0.00 N ATOM 0 H ARG A 64 17.751 1.949 2.881 1.00 0.00 H new ATOM 0 HA ARG A 64 20.535 1.036 3.274 1.00 0.00 H new ATOM 0 HB2 ARG A 64 20.117 1.153 5.475 1.00 0.00 H new ATOM 0 HB3 ARG A 64 18.779 2.184 5.010 1.00 0.00 H new ATOM 0 HG2 ARG A 64 17.608 -0.290 4.822 1.00 0.00 H new ATOM 0 HG3 ARG A 64 18.761 -0.568 6.112 1.00 0.00 H new ATOM 0 HD2 ARG A 64 16.575 1.538 6.011 1.00 0.00 H new ATOM 0 HD3 ARG A 64 16.692 0.177 7.109 1.00 0.00 H new ATOM 0 HE ARG A 64 18.788 2.310 7.170 1.00 0.00 H new ATOM 0 HH11 ARG A 64 16.171 0.510 8.737 1.00 0.00 H new ATOM 0 HH12 ARG A 64 16.515 1.186 10.333 1.00 0.00 H new ATOM 0 HH21 ARG A 64 19.209 3.169 9.213 1.00 0.00 H new ATOM 0 HH22 ARG A 64 18.227 2.685 10.600 1.00 0.00 H new ATOM 972 N LEU A 65 18.228 -0.733 2.130 1.00 0.00 N ATOM 973 CA LEU A 65 17.835 -2.055 1.658 1.00 0.00 C ATOM 974 C LEU A 65 18.336 -2.292 0.236 1.00 0.00 C ATOM 975 O LEU A 65 18.939 -3.322 -0.059 1.00 0.00 O ATOM 976 CB LEU A 65 16.310 -2.195 1.699 1.00 0.00 C ATOM 977 CG LEU A 65 15.750 -3.048 2.843 1.00 0.00 C ATOM 978 CD1 LEU A 65 16.382 -4.431 2.846 1.00 0.00 C ATOM 979 CD2 LEU A 65 15.966 -2.354 4.181 1.00 0.00 C ATOM 0 H LEU A 65 17.740 0.037 1.673 1.00 0.00 H new ATOM 0 HA LEU A 65 18.284 -2.801 2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 65 15.874 -1.198 1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 65 15.978 -2.625 0.754 1.00 0.00 H new ATOM 0 HG LEU A 65 14.678 -3.167 2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 65 15.969 -5.018 3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 65 16.170 -4.930 1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 65 17.461 -4.338 2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 65 15.562 -2.974 4.982 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.033 -2.201 4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 65 15.458 -1.390 4.177 1.00 0.00 H new ATOM 991 N PHE A 66 18.052 -1.344 -0.649 1.00 0.00 N ATOM 992 CA PHE A 66 18.437 -1.456 -2.051 1.00 0.00 C ATOM 993 C PHE A 66 19.154 -0.190 -2.505 1.00 0.00 C ATOM 994 O PHE A 66 19.016 0.241 -3.649 1.00 0.00 O ATOM 995 CB PHE A 66 17.204 -1.687 -2.932 1.00 0.00 C ATOM 996 CG PHE A 66 16.320 -2.815 -2.479 1.00 0.00 C ATOM 997 CD1 PHE A 66 16.583 -4.115 -2.872 1.00 0.00 C ATOM 998 CD2 PHE A 66 15.226 -2.573 -1.663 1.00 0.00 C ATOM 999 CE1 PHE A 66 15.772 -5.154 -2.460 1.00 0.00 C ATOM 1000 CE2 PHE A 66 14.413 -3.610 -1.247 1.00 0.00 C ATOM 1001 CZ PHE A 66 14.687 -4.902 -1.645 1.00 0.00 C ATOM 0 H PHE A 66 17.554 -0.484 -0.419 1.00 0.00 H new ATOM 0 HA PHE A 66 19.110 -2.308 -2.151 1.00 0.00 H new ATOM 0 HB2 PHE A 66 16.616 -0.770 -2.961 1.00 0.00 H new ATOM 0 HB3 PHE A 66 17.533 -1.887 -3.952 1.00 0.00 H new ATOM 0 HD1 PHE A 66 17.432 -4.320 -3.508 1.00 0.00 H new ATOM 0 HD2 PHE A 66 15.007 -1.563 -1.349 1.00 0.00 H new ATOM 0 HE1 PHE A 66 15.987 -6.164 -2.776 1.00 0.00 H new ATOM 0 HE2 PHE A 66 13.564 -3.409 -0.611 1.00 0.00 H new ATOM 0 HZ PHE A 66 14.054 -5.714 -1.320 1.00 0.00 H new ATOM 1011 N GLY A 67 19.907 0.411 -1.601 1.00 0.00 N ATOM 1012 CA GLY A 67 20.607 1.634 -1.929 1.00 0.00 C ATOM 1013 C GLY A 67 22.065 1.591 -1.536 1.00 0.00 C ATOM 1014 O GLY A 67 22.632 0.515 -1.347 1.00 0.00 O ATOM 0 H GLY A 67 20.047 0.076 -0.648 1.00 0.00 H new ATOM 0 HA2 GLY A 67 20.528 1.817 -3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 67 20.123 2.471 -1.426 1.00 0.00 H new ATOM 1424 N GLU A 102 9.063 4.841 -6.546 1.00 0.00 N ATOM 1425 CA GLU A 102 8.519 5.443 -5.342 1.00 0.00 C ATOM 1426 C GLU A 102 7.199 6.150 -5.636 1.00 0.00 C ATOM 1427 O GLU A 102 6.574 5.907 -6.672 1.00 0.00 O ATOM 1428 CB GLU A 102 9.516 6.435 -4.751 1.00 0.00 C ATOM 1429 CG GLU A 102 10.234 7.271 -5.794 1.00 0.00 C ATOM 1430 CD GLU A 102 10.597 8.645 -5.288 1.00 0.00 C ATOM 1431 OE1 GLU A 102 10.260 8.968 -4.128 1.00 0.00 O ATOM 1432 OE2 GLU A 102 11.230 9.412 -6.044 1.00 0.00 O ATOM 0 HA GLU A 102 8.333 4.648 -4.620 1.00 0.00 H new ATOM 0 HB2 GLU A 102 8.991 7.099 -4.064 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.255 5.889 -4.164 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.140 6.753 -6.109 1.00 0.00 H new ATOM 0 HG3 GLU A 102 9.600 7.368 -6.675 1.00 0.00 H new ATOM 1439 N ARG A 103 6.852 7.107 -4.773 1.00 0.00 N ATOM 1440 CA ARG A 103 5.675 7.956 -4.959 1.00 0.00 C ATOM 1441 C ARG A 103 4.388 7.142 -5.057 1.00 0.00 C ATOM 1442 O ARG A 103 3.404 7.595 -5.637 1.00 0.00 O ATOM 1443 CB ARG A 103 5.835 8.828 -6.208 1.00 0.00 C ATOM 1444 CG ARG A 103 5.887 10.315 -5.905 1.00 0.00 C ATOM 1445 CD ARG A 103 4.514 10.862 -5.563 1.00 0.00 C ATOM 1446 NE ARG A 103 4.543 11.707 -4.373 1.00 0.00 N ATOM 1447 CZ ARG A 103 3.490 12.382 -3.916 1.00 0.00 C ATOM 1448 NH1 ARG A 103 2.331 12.331 -4.561 1.00 0.00 N ATOM 1449 NH2 ARG A 103 3.598 13.122 -2.821 1.00 0.00 N ATOM 0 H ARG A 103 7.380 7.315 -3.925 1.00 0.00 H new ATOM 0 HA ARG A 103 5.598 8.593 -4.078 1.00 0.00 H new ATOM 0 HB2 ARG A 103 6.748 8.539 -6.729 1.00 0.00 H new ATOM 0 HB3 ARG A 103 5.005 8.632 -6.887 1.00 0.00 H new ATOM 0 HG2 ARG A 103 6.568 10.494 -5.073 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.288 10.849 -6.766 1.00 0.00 H new ATOM 0 HD2 ARG A 103 4.132 11.437 -6.407 1.00 0.00 H new ATOM 0 HD3 ARG A 103 3.823 10.034 -5.403 1.00 0.00 H new ATOM 0 HE ARG A 103 5.422 11.785 -3.861 1.00 0.00 H new ATOM 0 HH11 ARG A 103 2.244 11.773 -5.410 1.00 0.00 H new ATOM 0 HH12 ARG A 103 1.527 12.850 -4.207 1.00 0.00 H new ATOM 0 HH21 ARG A 103 4.489 13.175 -2.327 1.00 0.00 H new ATOM 0 HH22 ARG A 103 2.790 13.638 -2.473 1.00 0.00 H new ATOM 1463 N LEU A 104 4.389 5.953 -4.472 1.00 0.00 N ATOM 1464 CA LEU A 104 3.222 5.083 -4.519 1.00 0.00 C ATOM 1465 C LEU A 104 2.267 5.374 -3.365 1.00 0.00 C ATOM 1466 O LEU A 104 1.605 4.473 -2.852 1.00 0.00 O ATOM 1467 CB LEU A 104 3.651 3.615 -4.495 1.00 0.00 C ATOM 1468 CG LEU A 104 2.683 2.653 -5.182 1.00 0.00 C ATOM 1469 CD1 LEU A 104 3.055 2.476 -6.645 1.00 0.00 C ATOM 1470 CD2 LEU A 104 2.669 1.314 -4.465 1.00 0.00 C ATOM 0 H LEU A 104 5.183 5.569 -3.960 1.00 0.00 H new ATOM 0 HA LEU A 104 2.693 5.282 -5.451 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.627 3.529 -4.972 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.775 3.304 -3.458 1.00 0.00 H new ATOM 0 HG LEU A 104 1.680 3.078 -5.135 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.355 1.788 -7.118 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.013 3.441 -7.150 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.065 2.073 -6.717 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.975 0.640 -4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.670 0.882 -4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.353 1.458 -3.432 1.00 0.00 H new ATOM 1482 N ILE A 105 2.148 6.642 -3.001 1.00 0.00 N ATOM 1483 CA ILE A 105 1.194 7.043 -1.980 1.00 0.00 C ATOM 1484 C ILE A 105 0.166 7.998 -2.564 1.00 0.00 C ATOM 1485 O ILE A 105 0.433 9.188 -2.746 1.00 0.00 O ATOM 1486 CB ILE A 105 1.870 7.703 -0.755 1.00 0.00 C ATOM 1487 CG1 ILE A 105 2.826 6.712 -0.084 1.00 0.00 C ATOM 1488 CG2 ILE A 105 0.814 8.189 0.237 1.00 0.00 C ATOM 1489 CD1 ILE A 105 3.464 7.231 1.186 1.00 0.00 C ATOM 0 H ILE A 105 2.697 7.406 -3.395 1.00 0.00 H new ATOM 0 HA ILE A 105 0.706 6.131 -1.635 1.00 0.00 H new ATOM 0 HB ILE A 105 2.445 8.565 -1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.281 5.796 0.144 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.612 6.447 -0.791 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.305 8.651 1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 105 0.168 8.920 -0.249 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.215 7.343 0.575 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.126 6.469 1.598 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.039 8.130 0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 105 2.687 7.468 1.913 1.00 0.00 H new ATOM 1500 N THR A 106 -1.013 7.476 -2.831 1.00 0.00 N ATOM 1501 CA THR A 106 -2.110 8.285 -3.312 1.00 0.00 C ATOM 1502 C THR A 106 -3.114 8.481 -2.181 1.00 0.00 C ATOM 1503 O THR A 106 -3.696 7.522 -1.677 1.00 0.00 O ATOM 1504 CB THR A 106 -2.772 7.633 -4.544 1.00 0.00 C ATOM 1505 OG1 THR A 106 -1.884 7.723 -5.666 1.00 0.00 O ATOM 1506 CG2 THR A 106 -4.100 8.295 -4.887 1.00 0.00 C ATOM 0 H THR A 106 -1.236 6.487 -2.721 1.00 0.00 H new ATOM 0 HA THR A 106 -1.735 9.259 -3.627 1.00 0.00 H new ATOM 0 HB THR A 106 -2.972 6.588 -4.306 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.303 7.308 -6.449 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.535 7.808 -5.760 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.782 8.202 -4.042 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.935 9.350 -5.105 1.00 0.00 H new ATOM 1514 N ARG A 107 -3.181 9.697 -1.671 1.00 0.00 N ATOM 1515 CA ARG A 107 -3.991 9.989 -0.503 1.00 0.00 C ATOM 1516 C ARG A 107 -5.277 10.687 -0.902 1.00 0.00 C ATOM 1517 O ARG A 107 -5.301 11.902 -1.096 1.00 0.00 O ATOM 1518 CB ARG A 107 -3.208 10.862 0.477 1.00 0.00 C ATOM 1519 CG ARG A 107 -3.094 10.266 1.868 1.00 0.00 C ATOM 1520 CD ARG A 107 -4.219 10.741 2.769 1.00 0.00 C ATOM 1521 NE ARG A 107 -3.995 10.353 4.162 1.00 0.00 N ATOM 1522 CZ ARG A 107 -4.614 9.335 4.764 1.00 0.00 C ATOM 1523 NH1 ARG A 107 -5.499 8.600 4.101 1.00 0.00 N ATOM 1524 NH2 ARG A 107 -4.339 9.043 6.031 1.00 0.00 N ATOM 0 H ARG A 107 -2.682 10.502 -2.050 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.244 9.046 -0.018 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -2.207 11.030 0.080 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -3.691 11.837 0.547 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -3.114 9.178 1.802 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.135 10.541 2.306 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -4.306 11.826 2.702 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -5.164 10.324 2.422 1.00 0.00 H new ATOM 0 HE ARG A 107 -3.324 10.894 4.707 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -5.709 8.812 3.126 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -5.968 7.824 4.567 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -3.654 9.597 6.545 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -4.813 8.265 6.489 1.00 0.00 H new ATOM 1538 N LEU A 108 -6.353 9.925 -0.978 1.00 0.00 N ATOM 1539 CA LEU A 108 -7.645 10.498 -1.281 1.00 0.00 C ATOM 1540 C LEU A 108 -8.615 10.252 -0.136 1.00 0.00 C ATOM 1541 O LEU A 108 -9.257 9.204 -0.053 1.00 0.00 O ATOM 1542 CB LEU A 108 -8.199 9.915 -2.582 1.00 0.00 C ATOM 1543 CG LEU A 108 -8.335 10.912 -3.733 1.00 0.00 C ATOM 1544 CD1 LEU A 108 -7.070 10.928 -4.580 1.00 0.00 C ATOM 1545 CD2 LEU A 108 -9.548 10.573 -4.585 1.00 0.00 C ATOM 0 H LEU A 108 -6.355 8.915 -0.835 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.523 11.574 -1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -7.550 9.100 -2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.178 9.481 -2.380 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.476 11.908 -3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -7.186 11.644 -5.394 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.221 11.218 -3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.896 9.934 -4.993 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -9.632 11.291 -5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -9.435 9.570 -4.995 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.447 10.615 -3.971 1.00 0.00 H new ATOM 1557 N GLU A 109 -8.807 11.276 0.667 1.00 0.00 N ATOM 1558 CA GLU A 109 -9.813 11.259 1.707 1.00 0.00 C ATOM 1559 C GLU A 109 -10.955 12.148 1.260 1.00 0.00 C ATOM 1560 O GLU A 109 -10.727 13.124 0.557 1.00 0.00 O ATOM 1561 CB GLU A 109 -9.231 11.762 3.032 1.00 0.00 C ATOM 1562 CG GLU A 109 -8.285 10.781 3.707 1.00 0.00 C ATOM 1563 CD GLU A 109 -7.760 11.304 5.031 1.00 0.00 C ATOM 1564 OE1 GLU A 109 -7.322 12.474 5.080 1.00 0.00 O ATOM 1565 OE2 GLU A 109 -7.797 10.558 6.033 1.00 0.00 O ATOM 0 H GLU A 109 -8.271 12.143 0.618 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.166 10.241 1.871 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -8.700 12.697 2.852 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.051 11.988 3.714 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -8.802 9.836 3.872 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -7.446 10.573 3.043 1.00 0.00 H new